General Information of the Compound
| Compound ID |
CP0429773
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| Compound Name |
4-(3-fluorophenyl)-3-[2-(5-fluoropyridin-3-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
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| Structure |
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| Formula |
C24H15F2N5O
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| Molecular Weight |
427.414
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| Canonical SMILES |
Fc1cccc(c1)-c1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
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| InChI |
InChI=1S/C24H15F2N5O/c25-18-3-1-2-16(7-18)21-5-4-15(9-27)6-22(21)24(32)30-12-17-13-31(29-23(17)14-30)20-8-19(26)10-28-11-20/h1-8,10-11,13H,12,14H2
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| InChIKey |
LZOXZIGBRAVWHE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2